2-Chloro-6-methylbenzothiazole

C8H6ClNSCAS 3507-26-4183.65 g/mol

Open in Covalent MOL file
NSCl
Aryl halide

Properties

Molecular formula
C8H6ClNS
Molar mass
183.65 g/mol
Exact mass
182.9909 Da
logP
3.26Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
3507-26-4
SMILES
CC1=CC2=C(C=C1)N=C(S2)Cl
InChIKey
PAKSGYIFUVNJQF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Chloro-6-methylbenzothiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethylbenzothiazole2941-71-163 % similar 2,6-Dichlorobenzothiazole3622-23-963 % similar 2-Chloro-6-fluorobenzothiazole399-74-659 % similar 6-Bromo-2-chlorobenzothiazole80945-86-459 % similar 2-Chloro-6-methoxybenzothiazole2605-14-358 % similar 2-Chlorobenzothiazole615-20-353 % similar 2-Chloro-6-nitrobenzothiazole2407-11-650 % similar 2-(4-Aminophenyl)-6-methylbenzothiazole92-36-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-methylbenzothiazole1006-99-1 (4-Chlorophenylthio)acetonitrile18527-19-0 1-Chloro-2-(isothiocyanatomethyl)benzene18967-44-7 2-Chloro-6-methylphenyl isothiocyanate19241-34-0 3-Chloro-o-tolyl isothiocyanate19241-35-1 4-Chloro-2-isothiocyanato-1-methylbenzene19241-36-2 3-Chloro-4-methylphenyl isothiocyanate19241-37-3 4-Chloro-1-isothiocyanato-2-methylbenzene23165-53-9

Elsewhere

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